SCHEMBL19334169

SCHEMBL19334169

CC[C@H](NC(=O)OC)C(=O)C(C)(C)CC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.40
▸ CTSS P25774 3/20 0.40
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ GAA P10253 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19578058 1.00 CTSK (0.40) CTSKCTSSCA1CA2CYP1A2
SCHEMBL19578077 0.86 CTSK (0.38) CTSKCTSSCA1CA2CYP1A2
SCHEMBL19578130 0.86 CTSK (0.42) CTSKCTSSCA1CA2TGFBR1
SCHEMBL19334205 0.86 CTSK (0.35) CTSKCTSSCA1CA2CYP1A2
SCHEMBL19578131 0.85 CTSK (0.40) CTSKCTSSCA1CA2CYP1A2
SCHEMBL8906526 0.85 CTSK (0.41) CTSKCTSSCA1CA2CYP1A2
SCHEMBL8906540 0.85 CTSK (0.41) CTSKCTSSCA1CA2CYP1A2
SCHEMBL19334207 0.82 SMN1; SMN2 (0.34) CTSKCTSS
SCHEMBL24851661 0.81 KDM4E (0.39) CTSKCTSSRIPK1
SCHEMBL19578425 0.80 CTSK (0.36) CTSKCTSSCA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 — — US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CTSK 789/4885CTSS 864/4885CA1 4434/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback